Search results for: Computational Modeling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3038

Search results for: Computational Modeling

3038 Augmenting Use Case View for Modeling

Authors: Pradip Peter Dey, Bhaskar Raj Sinha, Mohammad Amin, Hassan Badkoobehi

Abstract:

Mathematical, graphical and intuitive models are often constructed in the development process of computational systems. The Unified Modeling Language (UML) is one of the most popular modeling languages used by practicing software engineers. This paper critically examines UML models and suggests an augmented use case view with the addition of new constructs for modeling software. It also shows how a use case diagram can be enhanced. The improved modeling constructs are presented with examples for clarifying important design and implementation issues.

Keywords: Software architecture, software design, Unified Modeling Language (UML), user interface.

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3037 NFκB Pathway Modeling for Optimal Drug Combination Therapy on Multiple Myeloma

Authors: Huiming Peng, Jianguo Wen, Hongwei Li, Jeff Chang, Xiaobo Zhou

Abstract:

NFκB activation plays a crucial role in anti-apoptotic responses in response to the apoptotic signaling during tumor necrosis factor (TNFa) stimulation in Multiple Myeloma (MM). Although several drugs have been found effective for the treatment of MM by mainly inhibiting NFκB pathway, there are no any quantitative or qualitative results of comparison assessment on inhibition effect between different single drugs or drug combinations. Computational modeling is becoming increasingly indispensable for applied biological research mainly because it can provide strong quantitative predicting power. In this study, a novel computational pathway modeling approach is employed to comparably assess the inhibition effects of specific single drugs and drug combinations on the NFκB pathway in MM, especially the prediction of synergistic drug combinations.

Keywords: Computational modeling, drug combination, inhibition effect, multiple myeloma, NFkB pathway.

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3036 Study of Flow Behavior of Aqueous Solution of Rhodamine B in Annular Reactor Using Computational Fluid Dynamics

Authors: Jatinder Kumar, Ajay Bansal

Abstract:

The present study deals with the modeling and simulation of flow through an annular reactor at different hydrodynamic conditions using computational fluid dynamics (CFD) to investigate the flow behavior. CFD modeling was utilized to predict velocity distribution and average velocity in the annular geometry. The results of CFD simulations were compared with the mathematically derived equations and already developed correlations for validation purposes. CFD modeling was found suitable for predicting the flow characteristics in annular geometry under laminar flow conditions. It was observed that CFD also provides local values of the parameters of interest in addition to the average values for the simulated geometry.

Keywords: Annular reactor, computational fluid dynamics (CFD), hydrodynamics, Rhodamine B

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3035 The Effects of a Thin Liquid Layer on the Hydrodynamic Machine Rotor

Authors: Jaroslav Krutil, František Pochylý, Simona Fialová, Vladimír Habán

Abstract:

A mathematical model of the additional effects of the liquid in the hydrodynamic gap is presented in the paper. An incompressible viscous fluid is considered. Based on computational modeling are determined the matrices of mass, stiffness and damping. The mathematical model is experimentally verified.

Keywords: Computational modeling, mathematical model, hydrodynamic gap, matrices of mass, stiffness and damping.

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3034 Application of Turbulence Modeling in Computational Fluid Dynamics for Airfoil Simulations

Authors: Mohammed Bilal

Abstract:

The precise prediction of aerodynamic behavior is necessary for the design and optimization of airfoils for a variety of applications. Turbulence, a phenomenon of complex and irregular flow, significantly affects the aerodynamic properties of airfoils. Therefore, turbulence modeling is essential for accurately predicting the behavior of airfoils in simulations. This study investigates five commonly employed turbulence models: Spalart-Allmaras (SA) model, k-epsilon model, k-omega model, Reynolds Stress Model (RSM), and Large Eddy Simulation (LES) model. The paper includes a comparison of the models' precision, computational expense, and applicability to various flow conditions. The strengths and weaknesses of each model are highlighted, allowing researchers and engineers to make informed decisions regarding simulations of specific airfoils. Unquestionably, the continuous development of turbulence modeling will contribute to further improvements in airfoil design and optimization, which will be advantageous to numerous industries.

Keywords: Computational fluid dynamics, airfoil, turbulence, aircraft.

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3033 Geometric Modeling of Illumination on the TFT-LCD Panel using Bezier Surface

Authors: Kyong-min Lee, Moon Soo Chang, PooGyeon Park

Abstract:

In this paper, we propose a geometric modeling of illumination on the patterned image containing etching transistor. This image is captured by a commercial camera during the inspection of a TFT-LCD panel. Inspection of defect is an important process in the production of LCD panel, but the regional difference in brightness, which has a negative effect on the inspection, is due to the uneven illumination environment. In order to solve this problem, we present a geometric modeling of illumination consisting of an interpolation using the least squares method and 3D modeling using bezier surface. Our computational time, by using the sampling method, is shorter than the previous methods. Moreover, it can be further used to correct brightness in every patterned image.

Keywords: Bezier, defect, geometric modeling, illumination, inspection, LCD, panel.

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3032 CFD Simulation of Condensing Vapor Bubble using VOF Model

Authors: Seong-Su Jeon, Seong-Jin Kim, Goon-Cherl Park

Abstract:

In this study, direct numerical simulation for the bubble condensation in the subcooled boiling flow was performed. The main goal was to develop the CFD modeling for the bubble condensation and to evaluate the accuracy of the VOF model with the developed CFD modeling. CFD modeling for the bubble condensation was developed by modeling the source terms in the governing equations of VOF model using UDF. In the modeling, the amount of condensation was determined using the interfacial heat transfer coefficient obtained from the bubble velocity, liquid temperature and bubble diameter every time step. To evaluate the VOF model using the CFD modeling for the bubble condensation, CFD simulation results were compared with SNU experimental results such as bubble volume and shape, interfacial area, bubble diameter and bubble velocity. Simulation results predicted well the behavior of the actual condensing bubble. Therefore, it can be concluded that the VOF model using the CFD modeling for the bubble condensation will be a useful computational fluid dynamics tool for analyzing the behavior of the condensing bubble in a wide range of the subcooled boiling flow.

Keywords: Bubble condensation, CFD modeling, Subcooled boiling flow, VOF model.

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3031 Performance Assessment of Computational Gridon Weather Indices from HOAPS Data

Authors: Madhuri Bhavsar, Anupam K Singh, Shrikant Pradhan

Abstract:

Long term rainfall analysis and prediction is a challenging task especially in the modern world where the impact of global warming is creating complications in environmental issues. These factors which are data intensive require high performance computational modeling for accurate prediction. This research paper describes a prototype which is designed and developed on grid environment using a number of coupled software infrastructural building blocks. This grid enabled system provides the demanding computational power, efficiency, resources, user-friendly interface, secured job submission and high throughput. The results obtained using sequential execution and grid enabled execution shows that computational performance has enhanced among 36% to 75%, for decade of climate parameters. Large variation in performance can be attributed to varying degree of computational resources available for job execution. Grid Computing enables the dynamic runtime selection, sharing and aggregation of distributed and autonomous resources which plays an important role not only in business, but also in scientific implications and social surroundings. This research paper attempts to explore the grid enabled computing capabilities on weather indices from HOAPS data for climate impact modeling and change detection.

Keywords: Climate model, Computational Grid, GridApplication, Heterogeneous Grid

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3030 Fuzzy Based Problem-Solution Data Structureas a Data Oriented Model for ABS Controlling

Authors: Ahmad Habibizad Navin, Mehdi Naghian Fesharaki, Mohamad Teshnelab, Ehsan Shahamatnia

Abstract:

The anti-lock braking systems installed on vehicles for safe and effective braking, are high-order nonlinear and timevariant. Using fuzzy logic controllers increase efficiency of such systems, but impose a high computational complexity as well. The main concept introduced by this paper is reducing computational complexity of fuzzy controllers by deploying problem-solution data structure. Unlike conventional methods that are based on calculations, this approach is based on data oriented modeling.

Keywords: ABS, Fuzzy controller, PSDS, Time-Memory tradeoff, Data oriented modeling.

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3029 Computational Fluid Dynamics Modeling of Downward Bubbly Flows

Authors: Mahmood Reza Rahimi, Hajir Karimi

Abstract:

Downward turbulent bubbly flows in pipes were modeled using computational fluid dynamics tools. The Hydrodynamics, phase distribution and turbulent structure of twophase air-water flow in a 57.15 mm diameter and 3.06 m length vertical pipe was modeled by using the 3-D Eulerian-Eulerian multiphase flow approach. Void fraction, liquid velocity and turbulent fluctuations profiles were calculated and compared against experimental data. CFD results are in good agreement with experimental data.

Keywords: CFD, Bubbly flow, Vertical pipe, Population balance modeling, Gas void fraction, Liquid velocity, Normal turbulent stresses.

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3028 Computational Modeling in Strategic Marketing

Authors: Petr Cernohorsky, Jan Voracek

Abstract:

Well-developed strategic marketing planning is the essential prerequisite for establishment of the right and unique competitive advantage. Typical market, however, is a heterogeneous and decentralized structure with natural involvement of individual or group subjectivity and irrationality. These features cannot be fully expressed with one-shot rigorous formal models based on, e.g. mathematics, statistics or empirical formulas. We present an innovative solution, extending the domain of agent based computational economics towards the concept of hybrid modeling in service provider and consumer market such as telecommunications. The behavior of the market is described by two classes of agents - consumer and service provider agents - whose internal dynamics are fundamentally different. Customers are rather free multi-state structures, adjusting behavior and preferences quickly in accordance with time and changing environment. Producers, on the contrary, are traditionally structured companies with comparable internal processes and specific managerial policies. Their business momentum is higher and immediate reaction possibilities limited. This limitation underlines importance of proper strategic planning as the main process advising managers in time whether to continue with more or less the same business or whether to consider the need for future structural changes that would ensure retention of existing customers or acquisition of new ones.

Keywords: Agent-based computational economics, hybrid modeling, strategic marketing, system dynamics.

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3027 Speeding up Nonlinear Time History Analysis of Base-Isolated Structures Using a Nonlinear Exponential Model

Authors: Nicolò Vaiana, Giorgio Serino

Abstract:

The nonlinear time history analysis of seismically base-isolated structures can require a significant computational effort when the behavior of each seismic isolator is predicted by adopting the widely used differential equation Bouc-Wen model. In this paper, a nonlinear exponential model, able to simulate the response of seismic isolation bearings within a relatively large displacements range, is described and adopted in order to reduce the numerical computations and speed up the nonlinear dynamic analysis. Compared to the Bouc-Wen model, the proposed one does not require the numerical solution of a nonlinear differential equation for each time step of the analysis. The seismic response of a 3d base-isolated structure with a lead rubber bearing system subjected to harmonic earthquake excitation is simulated by modeling each isolator using the proposed analytical model. The comparison of the numerical results and computational time with those obtained by modeling the lead rubber bearings using the Bouc-Wen model demonstrates the good accuracy of the proposed model and its capability to reduce significantly the computational effort of the analysis.

Keywords: Base isolation, computational efficiency, nonlinear exponential model, nonlinear time history analysis.

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3026 Computational Modeling of Combustion Wave in Nanoscale Thermite Reaction

Authors: Kyoungjin Kim

Abstract:

Nanoscale thermites such as the composite mixture of nano-sized aluminum and molybdenum trioxide powders possess several technical advantages such as much higher reaction rate and shorter ignition delay, when compared to the conventional energetic formulations made of micron-sized metal and oxidizer particles. In this study, the self-propagation of combustion wave in compacted pellets of nanoscale thermite composites is modeled and computationally investigated by utilizing the activation energy reduction of aluminum particles due to nanoscale particle sizes. The present computational model predicts the speed of combustion wave propagation which is good agreement with the corresponding experiments of thermite reaction. Also, several characteristics of thermite reaction in nanoscale composites are discussed including the ignition delay and combustion wave structures.

Keywords: Nanoparticles, Thermite reaction, Combustion wave, Numerical modeling.

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3025 Early Requirement Engineering for Design of Learner Centric Dynamic LMS

Authors: Kausik Halder, Nabendu Chaki, Ranjan Dasgupta

Abstract:

We present a modeling framework that supports the engineering of early requirements specifications for design of learner centric dynamic Learning Management System. The framework is based on i* modeling tool and Means End Analysis, that adopts primitive concepts for modeling early requirements (such as actor, goal, and strategic dependency). We show how pedagogical and computational requirements for designing a learner centric Learning Management system can be adapted for the automatic early requirement engineering specifications. Finally, we presented a model on a Learner Quanta based adaptive Courseware. Our early requirement analysis shows that how means end analysis reveals gaps and inconsistencies in early requirements specifications that are by no means trivial to discover without the help of formal analysis tool.

Keywords: Adaptive Courseware, Early Requirement Engineering, Means End Analysis, Organizational Modeling, Requirement Modeling.

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3024 A Computational Stochastic Modeling Formalism for Biological Networks

Authors: Werner Sandmann, Verena Wolf

Abstract:

Stochastic models of biological networks are well established in systems biology, where the computational treatment of such models is often focused on the solution of the so-called chemical master equation via stochastic simulation algorithms. In contrast to this, the development of storage-efficient model representations that are directly suitable for computer implementation has received significantly less attention. Instead, a model is usually described in terms of a stochastic process or a "higher-level paradigm" with graphical representation such as e.g. a stochastic Petri net. A serious problem then arises due to the exponential growth of the model-s state space which is in fact a main reason for the popularity of stochastic simulation since simulation suffers less from the state space explosion than non-simulative numerical solution techniques. In this paper we present transition class models for the representation of biological network models, a compact mathematical formalism that circumvents state space explosion. Transition class models can also serve as an interface between different higher level modeling paradigms, stochastic processes and the implementation coded in a programming language. Besides, the compact model representation provides the opportunity to apply non-simulative solution techniques thereby preserving the possible use of stochastic simulation. Illustrative examples of transition class representations are given for an enzyme-catalyzed substrate conversion and a part of the bacteriophage λ lysis/lysogeny pathway.

Keywords: Computational Modeling, Biological Networks, Stochastic Models, Markov Chains, Transition Class Models.

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3023 A Rapid and Cost-Effective Approach to Manufacturing Modeling Platform for Fused Deposition Modeling

Authors: Chil-Chyuan Kuo, Chen-Hsuan Tsai

Abstract:

This study presents a cost-effective approach for rapid fabricating modeling platforms utilized in fused deposition modeling system. A small-batch production of modeling platforms about 20 pieces can be obtained economically through silicone rubber mold using vacuum casting without applying the plastic injection molding. The air venting systems is crucial for fabricating modeling platform using vacuum casting. Modeling platforms fabricated can be used for building rapid prototyping model after sandblasting. This study offers industrial value because it has both time-effectiveness and cost-effectiveness.

Keywords: Vacuum casting, fused deposition modeling, modeling platform, sandblasting, surface roughness.

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3022 Optimizing Voltage Parameter of Deep Brain Stimulation for Parkinsonian Patients by Modeling

Authors: M. Sadeghi, A.H. Jafari, S.M.P. Firoozabadi

Abstract:

Deep Brain Stimulation or DBS is the second solution for Parkinson's Disease. Its three parameters are: frequency, pulse width and voltage. They must be optimized to achieve successful treatment. Nowadays it is done clinically by neurologists and there is not certain numerical method to detect them. The aim of this research is to introduce simulation and modeling of Parkinson's Disease treatment as a computational procedure to select optimum voltage. We recorded finger tremor signals of some Parkinsonian patients under DBS treatment at constant frequency and pulse width but variable voltages; then, we adapted a new model to fit these data. The optimum voltages obtained by data fitting results were the same as neurologists- commented voltages, which means modeling can be used as an engineering method to select optimum stimulation voltages.

Keywords: modeling, Deep Brain Stimulation, Parkinson'sdisease, tremor.

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3021 Integrating Agents and Computational Intelligence Techniques in E-learning Environments

Authors: Konstantinos C. Giotopoulos, Christos E. Alexakos, Grigorios N. Beligiannis, Spiridon D.Likothanassis

Abstract:

In this contribution a newly developed elearning environment is presented, which incorporates Intelligent Agents and Computational Intelligence Techniques. The new e-learning environment is constituted by three parts, the E-learning platform Front-End, the Student Questioner Reasoning and the Student Model Agent. These parts are distributed geographically in dispersed computer servers, with main focus on the design and development of these subsystems through the use of new and emerging technologies. These parts are interconnected in an interoperable way, using web services for the integration of the subsystems, in order to enhance the user modelling procedure and achieve the goals of the learning process.

Keywords: E-learning environments, intelligent agents, user modeling, Bayesian Networks, computational intelligence.

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3020 CFD Modeling of a Radiator Axial Fan for Air Flow Distribution

Authors: S. Jain, Y. Deshpande

Abstract:

The fluid mechanics principle is used extensively in designing axial flow fans and their associated equipment. This paper presents a computational fluid dynamics (CFD) modeling of air flow distribution from a radiator axial flow fan used in an acid pump truck Tier4 (APT T4) Repower. This axial flow fan augments the transfer of heat from the engine mounted on the APT T4. CFD analysis was performed for an area weighted average static pressure difference at the inlet and outlet of the fan. Pressure contours, velocity vectors, and path lines were plotted for detailing the flow characteristics for different orientations of the fan blade. The results were then compared and verified against known theoretical observations and actual experimental data. This study shows that a CFD simulation can be very useful for predicting and understanding the flow distribution from a radiator fan for further research work.

Keywords: Computational fluid dynamics (CFD), acid pump truck (APT) Tier4 Repower, axial flow fan, area weighted average static pressure difference, and contour plots.

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3019 Research on the Correlation of the Fluctuating Density Gradient of the Compressible Flows

Authors: Yasuo Obikane

Abstract:

This work is to study a roll of the fluctuating density gradient in the compressible flows for the computational fluid dynamics (CFD). A new anisotropy tensor with the fluctuating density gradient is introduced, and is used for an invariant modeling technique to model the turbulent density gradient correlation equation derived from the continuity equation. The modeling equation is decomposed into three groups: group proportional to the mean velocity, and that proportional to the mean strain rate, and that proportional to the mean density. The characteristics of the correlation in a wake are extracted from the results by the two dimensional direct simulation, and shows the strong correlation with the vorticity in the wake near the body. Thus, it can be concluded that the correlation of the density gradient is a significant parameter to describe the quick generation of the turbulent property in the compressible flows.

Keywords: Turbulence Modeling , Density Gradient Correlation, Compressible

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3018 CFD Modeling of Insect Flight at Low Reynolds Number

Authors: Wu Di, Yeo Khoon Seng, Lim Tee Tai

Abstract:

The typical insects employ a flapping-wing mode of flight. The numerical simulations on free flight of a model fruit fly (Re=143) including hovering and are presented in this paper. Unsteady aerodynamics around a flapping insect is studied by solving the three-dimensional Newtonian dynamics of the flyer coupled with Navier-Stokes equations. A hybrid-grid scheme (Generalized Finite Difference Method) that combines great geometry flexibility and accuracy of moving boundary definition is employed for obtaining flow dynamics. The results show good points of agreement and consistency with the outcomes and analyses of other researchers, which validate the computational model and demonstrate the feasibility of this computational approach on analyzing fluid phenomena in insect flight. The present modeling approach also offers a promising route of investigation that could complement as well as overcome some of the limitations of physical experiments in the study of free flight aerodynamics of insects. The results are potentially useful for the design of biomimetic flapping-wing flyers.

Keywords: Free hovering flight, flapping wings, fruit fly, insect aerodynamics, leading edge vortex (LEV), computational fluid dynamics (CFD), Navier-Stokes equations (N-S), fluid structure interaction (FSI), generalized finite-difference method (GFD).

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3017 Modeling Method and Application in Digital Mockup System towards Mechanical Product

Authors: Huaiyu Zhang

Abstract:

The method of modeling is the key technology for digital mockup (DMU). Based upon the developing for mechanical product DMU, the theory, method and approach for virtual environment (VE) and virtual object (VO) were studied. This paper has expounded the design goal and architecture of DMU system, analyzed the method of DMU application, and researched the general process of physics modeling and behavior modeling.

Keywords: DMU, VR, virtual environment, virtual object, physics modeling, behavior modeling

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3016 Simulating Action Potential as a Linear Combination of Gating Dynamics

Authors: S. H. Sabzpoushan

Abstract:

In this research we show that the dynamics of an action potential in a cell can be modeled with a linear combination of the dynamics of the gating state variables. It is shown that the modeling error is negligible. Our findings can be used for simplifying cell models and reduction of computational burden i.e. it is useful for simulating action potential propagation in large scale computations like tissue modeling. We have verified our finding with the use of several cell models.

Keywords: Linear model, Action potential, gating dynamics.

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3015 Modeling of Temperature Fields of Gas Turbine Blades by Considering Heat Flow and Specified Temperature

Authors: C. Ardil

Abstract:

A new mathematical model for calculating the temperature field of the profile part of the cooled blades of gas turbines is developed. The theoretical substantiation of the method is based on the application of the method of potential theory (the method of boundary integral equations). The effectiveness of the implementation of the developed mathematical model is confirmed on the basis of a computational experiment.

Keywords: Modeling of temperature fields, gas turbine blades, integral methods, cooled blades, gas turbines.

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3014 Multi-Agent Based Modeling Using Multi-Criteria Decision Analysis and OLAP System for Decision Support Problems

Authors: Omar Boutkhoum, Mohamed Hanine, Tarik Agouti, Abdessadek Tikniouine

Abstract:

This paper discusses the intake of combining multi-criteria decision analysis (MCDA) with OLAP systems, to generate an integrated analysis process dealing with complex multi-criteria decision-making situations. In this context, a multi-agent modeling is presented for decision support systems by combining multi-criteria decision analysis (MCDA) with OLAP systems. The proposed modeling which consists in performing the multi-agent system (MAS) architecture, procedure and protocol of the negotiation model is elaborated as a decision support tool for complex decision-making environments. Our objective is to take advantage from the multi-agent system which distributes resources and computational capabilities across interconnected agents, and provide a problem modeling in terms of autonomous interacting component-agents. Thus, the identification and evaluation of criteria as well as the evaluation and ranking of alternatives in a decision support situation will be performed by organizing tasks and user preferences between different agents in order to reach the right decision. At the end, an illustrative example is conducted to demonstrate the function and effectiveness of our MAS modeling.

Keywords: Multidimensional Analysis, OLAP Analysis, Multi-criteria Decision Analysis, Multi-Agent System, Decision Support System.

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3013 Reduced Order Modeling of Natural Gas Transient Flow in Pipelines

Authors: M. Behbahani-Nejad, Y. Shekari

Abstract:

A reduced order modeling approach for natural gas transient flow in pipelines is presented. The Euler equations are considered as the governing equations and solved numerically using the implicit Steger-Warming flux vector splitting method. Next, the linearized form of the equations is derived and the corresponding eigensystem is obtained. Then, a few dominant flow eigenmodes are used to construct an efficient reduced-order model. A well-known test case is presented to demonstrate the accuracy and the computational efficiency of the proposed method. The results obtained are in good agreement with those of the direct numerical method and field data. Moreover, it is shown that the present reduced-order model is more efficient than the conventional numerical techniques for transient flow analysis of natural gas in pipelines.

Keywords: Eigenmode, Natural Gas, Reduced Order Modeling, Transient Flow.

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3012 Computational Fluid Dynamics Simulation and Comparison of Flow through Mechanical Heart Valve Using Newtonian and Non-Newtonian Fluid

Authors: D. Šedivý, S. Fialová

Abstract:

The main purpose of this study is to show differences between the numerical solution of the flow through the artificial heart valve using Newtonian or non-Newtonian fluid. The simulation was carried out by a commercial computational fluid dynamics (CFD) package based on finite-volume method. An aortic bileaflet heart valve (Sorin Bicarbon) was used as a pattern for model of real heart valve replacement. Computed tomography (CT) was used to gain the accurate parameters of the valve. Data from CT were transferred in the commercial 3D designer, where the model for CFD was made. Carreau rheology model was applied as non-Newtonian fluid. Physiological data of cardiac cycle were used as boundary conditions. Outputs were taken the leaflets excursion from opening to closure and the fluid dynamics through the valve. This study also includes experimental measurement of pressure fields in ambience of valve for verification numerical outputs. Results put in evidence a favorable comparison between the computational solutions of flow through the mechanical heart valve using Newtonian and non-Newtonian fluid.

Keywords: Computational modeling, dynamic mesh, mechanical heart valve, non-Newtonian fluid, SDOF.

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3011 Hygric Performance of a Sandstone Wall Retrofitted with Interior Thermal Insulation

Authors: J. Maděra, M. Jerman, R. Černý

Abstract:

Temperature, relative humidity and overhygroscopic moisture fields in a sandstone wall provided with interior thermal insulation were calculated in order to assess the hygric performance of the retrofitted wall. Computational simulations showed that during the time period of 10 years which was subject of investigation no overhygroscopic moisture appeared in the analyzed building envelope so that it performed in a satisfactory way from the hygric point of view.

Keywords: Sandstone wall, interior thermal insulation, moisture, computational modeling.

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3010 The Extension of Monomeric Computational Results to Polymeric Measurable Properties: An Introductory Computational Chemistry Experiment

Authors: Zhao Jing, Bai Yongqing, Shi Qiaofang, Zang Yang, Zhang Huaihao

Abstract:

Advances in software technology enable the computational chemistry to be commonly applied in various research fields, especially in pedagogy. Thus, in order to expand and improve experimental instructions of computational chemistry for undergraduates, we designed an introductory experiment—research on acrylamide molecular structure and physicochemical properties. Initially, students construct molecular models of acrylamide and polyacrylamide in Gaussian and Materials Studio software respectively. Then, the infrared spectral data, atomic charge and molecular orbitals of acrylamide as well as solvation effect of polyacrylamide are calculated to predict their physicochemical performance. At last, rheological experiments are used to validate these predictions. Through the combination of molecular simulation (performed on Gaussian, Materials Studio) with experimental verification (rheology experiment), learners have deeply comprehended the chemical nature of acrylamide and polyacrylamide, achieving good learning outcomes.

Keywords: Upper-division undergraduate, computer-based learning, laboratory instruction, amides, molecular modeling, spectroscopy.

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3009 Bridging the Gap between Different Interfaces for Business Process Modeling

Authors: Katalina Grigorova, Kaloyan Mironov

Abstract:

The paper focuses on the benefits of business process modeling. Although this discipline is developing for many years, there is still necessity of creating new opportunities to meet the ever increasing users’ needs. Because one of these needs is related to the conversion of business process models from one standard to another, the authors have developed a converter between BPMN and EPC standards using workflow patterns as intermediate tool. Nowadays there are too many systems for business process modeling. The variety of output formats is almost the same as the systems themselves. This diversity additionally hampers the conversion of the models. The presented study is aimed at discussing problems due to differences in the output formats of various modeling environments.

Keywords: Business process modeling, business process modeling standards, workflow patterns, converting models.

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